1-(chloromethylidene)piperidin-1-ium

C6H11ClN+ — CID 13180248

IUPAC1-(chloromethylidene)piperidin-1-ium
SMILESClC=[N+]1CCCCC1
InChIInChI=1S/C6H11ClN/c7-6-8-4-2-1-3-5-8/h6H,1-5H2/q+1
InChIKeyYKNDCTKMKVIEFP-UHFFFAOYSA-N
MW132.61 g/mol
LogP1.45
Rot. Bonds

About 1-(chloromethylidene)piperidin-1-ium

1-(chloromethylidene)piperidin-1-ium (PubChem CID 13180248) has the molecular formula C6H11ClN+ and a molecular weight of 132.61 g/mol. Its IUPAC name is 1-(chloromethylidene)piperidin-1-ium.

Molecular Properties

Compound Name1-(chloromethylidene)piperidin-1-ium
PubChem CID13180248
Molecular FormulaC6H11ClN+
Molecular Weight132.61 g/mol
Exact Mass132.06
IUPAC Name1-(chloromethylidene)piperidin-1-ium
SMILESClC=[N+]1CCCCC1
InChIInChI=1S/C6H11ClN/c7-6-8-4-2-1-3-5-8/h6H,1-5H2/q+1
InChIKeyYKNDCTKMKVIEFP-UHFFFAOYSA-N
XLogP1.45
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethylidene)pyrrolidin-1-ium
CID 13004353
piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate
CID 21223926
1-benzylidenepyrrolidin-1-ium;tetrachloroalumanuide
CID 134987613
N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)
CID 59079049
1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate
CID 71356625
cyclobutane;cyclopropane
CID 159057906
cyclooctacosane
CID 520451
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclooctane
CID 9266
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184
5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene
CID 66799483

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylidene)piperidin-1-ium?
The IUPAC name of 1-(chloromethylidene)piperidin-1-ium (CID 13180248) is 1-(chloromethylidene)piperidin-1-ium.
What is the SMILES notation for 1-(chloromethylidene)piperidin-1-ium?
The canonical SMILES for 1-(chloromethylidene)piperidin-1-ium is ClC=[N+]1CCCCC1.
What is the InChIKey of 1-(chloromethylidene)piperidin-1-ium?
The InChIKey is YKNDCTKMKVIEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN/c7-6-8-4-2-1-3-5-8/h6H,1-5H2/q+1.
What are the key properties of 1-(chloromethylidene)piperidin-1-ium?
1-(chloromethylidene)piperidin-1-ium has a molecular weight of 132.61 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylidene)piperidin-1-ium is sourced from PubChem (CID 13180248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).